| 000 | 01785nam a2200313Ia 4500 | ||
|---|---|---|---|
| 001 | CRC000E8406PDF | ||
| 003 | FlBoTFG | ||
| 005 | 20171224123447.0 | ||
| 006 | m|||||o||d|||||||| | ||
| 007 | cr|||| | ||
| 008 | 080307s2008 flu sb 001 0 eng d | ||
| 020 | _a9780849384073 (ebook : PDF) | ||
| 040 |
_aFlBoTFG _cFlBoTFG |
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| 090 |
_aQC176.8.E4 _bT75 2008 |
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| 092 |
_a541.28 _bT833 |
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| 100 | 1 | _aTrindle, Carl. | |
| 245 | 1 | 0 |
_aElectronic structure modeling _h[electronic resource] : _bconnections between theory and software / _cCarl Trindle and Donald Shillady. |
| 260 |
_aBoca Raton, Fla. : _bCRC Press, _c2008. |
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| 300 | _a504 p. | ||
| 504 | _aIncludes bibliographical references and index. | ||
| 505 | 0 | _aOne-dimensional quantum mechanics, a short review -- Matrices, representations, and electronic structure modeling -- Methods of approximation and the SCF method -- Gaussian lobe basis sets -- A very simple MO program -- Geometry optimization and vibrational frequencies by SCF -- Configuration interaction and potential curves -- Perturbation theory -- Highly accurate methods -- Modeling the Coulomb hole -- Density functional theory -- Calculation of nuclear magnetic resonance shielding/shifts -- The representation of electronically excited states -- Circular dichroism and optical rotatory dispersion. | |
| 530 |
_aAlso available in print edition. _bCRC Press (http://www.crcpress.com) |
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| 538 | _aMode of access: World Wide Web. | ||
| 650 | 0 |
_aElectronic structure _xMathematical models. |
|
| 655 | 7 |
_aElectronic books. _2lcsh |
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| 700 | 1 | _aShillady, Donald. | |
| 776 | 1 | _z9780849384066 | |
| 856 | 4 | 0 |
_uhttp://marc.crcnetbase.com/isbn/9780849384073 _qapplication/PDF _zDistributed by publisher. Purchase or institutional license may be required for access. |
| 999 |
_c15034 _d15034 |
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